LAMMPS (1 Feb 2014)
# Aspherical shear demo - 2d line box and triangle mixture, implicit solvent

units		lj
atom_style	line
dimension	2

read_data	data.line
  orthogonal box = (-22.5539 -22.5539 -0.5) to (22.5539 22.5539 0.5)
  4 by 2 by 1 MPI processor grid
  reading atoms ...
  350 atoms
  350 lines

velocity	all create 1.44 320984 loop geom

neighbor	0.3 bin
neigh_modify	delay 0 every 1 check yes
neigh_modify	exclude molecule all

pair_style	line/lj 2.5
pair_coeff	* * 1.0 0.25

fix		2 all rigid molecule langevin 2.0 2.0 1.0 492983
100 rigid bodies with 350 atoms

fix		3 all deform 1 x scale 0.3 y scale 0.3
fix		4 all enforce2d

compute		10 all property/atom end1x end1y end2x end2y

#dump		1 all custom 500 dump1.atom id type x y z ix iy iz
#dump		2 all custom 500 dump1.line id type #		c_10[1] c_10[2] c_10[3] c_10[4]

timestep	0.004

compute		1 all erotate/asphere
compute		2 all ke
compute		3 all pe
variable	toteng equal (c_1+c_2+c_3)/atoms

thermo		1000
thermo_style	custom step temp f_2 pe ke c_1 c_2 c_3 v_toteng

run		10000
Memory usage per processor = 2.6072 Mbytes
Step Temp 2 PotEng KinEng 1 2 3 toteng 
       0            0    1.2780105            0           -0  0.037823677   0.50989511            0   0.54771879 
    1000            0    1.9896906  -0.13333756           -0   0.12630626   0.72641827  -0.13333756   0.71938697 
    2000            0    2.0408541  -0.24906647           -0   0.13199238   0.74265938  -0.24906647   0.62558529 
    3000            0    1.9921323  -0.39759798           -0   0.11671173   0.73705927  -0.39759798   0.45617302 
    4000            0    2.1392159  -0.36475197           -0   0.11923802    0.7975688  -0.36475197   0.55205485 
    5000            0     2.139715  -0.52582091           -0   0.15846417   0.75855653  -0.52582091   0.39119979 
    6000            0    2.1313904  -0.65532027           -0   0.11090422   0.80254883  -0.65532027   0.25813278 
    7000            0    1.9416614  -0.81322598           -0   0.11722471   0.71491587  -0.81322598  0.018914608 
    8000            0    1.9388183   -1.0581149           -0   0.10142762   0.72949452   -1.0581149  -0.22719275 
    9000            0    2.2830265    -1.583347           -0   0.14583927   0.83260066    -1.583347  -0.60490709 
   10000            0    4.1416666   -2.6034045           -0   0.18839177    1.5866082   -2.6034045  -0.82840455 
Loop time of 2.84713 on 8 procs for 10000 steps with 350 atoms

Pair  time (%) = 1.26607 (44.4682)
Neigh time (%) = 0.0163046 (0.572669)
Comm  time (%) = 0.786148 (27.612)
Outpt time (%) = 0.000368953 (0.0129588)
Other time (%) = 0.778241 (27.3342)

Nlocal:    43.75 ave 51 max 39 min
Histogram: 1 2 0 2 0 1 1 0 0 1
Nghost:    170.25 ave 180 max 160 min
Histogram: 2 1 0 0 0 0 2 0 1 2
Neighs:    963.125 ave 1209 max 767 min
Histogram: 2 0 2 0 1 0 1 0 1 1

Total # of neighbors = 7705
Ave neighs/atom = 22.0143
Neighbor list builds = 987
Dangerous builds = 0

#undump          1
#undump          2
unfix           3

change_box      all triclinic
  triclinic box = (-6.76616 -6.76616 -0.5) to (6.76616 6.76616 0.5) with tilt (0 0 0)

#dump		1 all custom 500 dump2.atom id type x y z ix iy iz
#dump		2 all custom 500 dump2.line id type #		c_10[1] c_10[2] c_10[3] c_10[4]

fix		3 all deform 1 xy erate 0.01 units box

run		100000
Memory usage per processor = 2.75978 Mbytes
Step Temp 2 PotEng KinEng 1 2 3 toteng 
   10000            0    4.1416666   -2.6024092           -0   0.18839177    1.5866082   -2.6024092  -0.82740923 
   11000            0    1.8408319   -3.1031477           -0   0.12073234   0.66819561   -3.1031477   -2.3142198 
   12000            0    2.0793172   -3.0329681           -0  0.086927592   0.80420833   -3.0329681   -2.1418322 
   13000            0    2.2022136     -2.99776           -0   0.14309291    0.8007129     -2.99776   -2.0539542 
   14000            0    1.9510757    -3.094649           -0   0.09482969   0.74134559    -3.094649   -2.2584737 
   15000            0    1.9874689   -3.1431753           -0    0.1083061    0.7434663   -3.1431753   -2.2914029 
   16000            0    1.8484778   -2.9491537           -0  0.079102883   0.71310191   -2.9491537   -2.1569489 
   17000            0    2.1978438   -2.9675694           -0   0.11677634   0.82515673   -2.9675694   -2.0256363 
   18000            0    2.0293397   -2.9860257           -0    0.1287845    0.7409325   -2.9860257   -2.1163087 
   19000            0    2.0077219    -3.005622           -0   0.12697603    0.7334762    -3.005622   -2.1451698 
   20000            0    2.1806369   -3.0622132           -0   0.11066657   0.82389212   -3.0622132   -2.1276545 
   21000            0    1.8156509   -3.1031481           -0   0.10227614   0.67585994   -3.1031481    -2.325012 
   22000            0    2.1028516   -3.0861182           -0  0.098877162   0.80234493   -3.0861182   -2.1848961 
   23000            0    1.8994891   -3.0110243           -0   0.10961187   0.70445488   -3.0110243   -2.1969576 
   24000            0    1.9305389   -3.0057136           -0   0.11735151    0.7100223   -3.0057136   -2.1783398 
   25000            0    1.9553918   -3.0848948           -0   0.13217467   0.70585039   -3.0848948   -2.2468697 
   26000            0    1.8903754   -2.9543658           -0  0.099925113   0.71023579   -2.9543658   -2.1442049 
   27000            0    2.2624684   -3.2416154           -0   0.11398815   0.85564117   -3.2416154   -2.2719861 
   28000            0    2.0335234   -3.1795174           -0   0.10291986   0.76859015   -3.1795174   -2.3080074 
   29000            0    1.7056403   -3.1198739           -0  0.076174496   0.65481419   -3.1198739   -2.3888853 
   30000            0    2.1203465   -3.0863113           -0   0.11355683   0.79516311   -3.0863113   -2.1775914 
   31000            0    1.8446708   -3.2764357           -0   0.11006455   0.68050865   -3.2764357   -2.4858625 
   32000            0    1.7947968    -3.081031           -0  0.087540776   0.68165784    -3.081031   -2.3118324 
   33000            0    2.2576228   -3.1042222           -0   0.15666855   0.81088407   -3.1042222   -2.1366696 
   34000            0    1.8522306   -3.0037311           -0   0.08276626   0.71104684   -3.0037311    -2.209918 
   35000            0    2.0611686   -2.9877406           -0   0.10822003   0.77513794   -2.9877406   -2.1043826 
   36000            0    2.0739798    -2.981184           -0   0.11784198   0.77100651    -2.981184   -2.0923355 
   37000            0    2.2120215   -2.8961216           -0   0.13172943    0.8162798   -2.8961216   -1.9481124 
   38000            0    2.1097357   -2.9746777           -0   0.11881736   0.78535507   -2.9746777   -2.0705053 
   39000            0    1.8928127   -2.9482169           -0   0.10915752   0.70204792   -2.9482169   -2.1370115 
   40000            0    1.8515483    -3.003524           -0  0.096981256   0.69653943    -3.003524   -2.2100033 
   41000            0    1.8569065   -3.0834675           -0   0.10562739    0.6901897   -3.0834675   -2.2876504 
   42000            0    2.2638459   -3.0577224           -0   0.10896442   0.86125524   -3.0577224   -2.0875027 
   43000            0    2.0992151   -3.1219185           -0   0.13280434   0.76685929   -3.1219185   -2.2222548 
   44000            0    2.3479986   -3.0702445           -0   0.14438131   0.86190379   -3.0702445   -2.0639594 
   45000            0    2.0295235   -2.9619688           -0   0.13726365   0.73253213   -2.9619688    -2.092173 
   46000            0    2.0597998   -3.1282569           -0   0.10139093    0.7813804   -3.1282569   -2.2454856 
   47000            0    1.8173541   -3.1122647           -0   0.10380346   0.67506259   -3.1122647   -2.3333986 
   48000            0    1.9650208     -3.22153           -0   0.10115952   0.74099226     -3.22153   -2.3793782 
   49000            0    1.8836303   -3.0781944           -0   0.10561306   0.70165705   -3.0781944   -2.2709243 
   50000            0    1.7799289   -3.1090208           -0   0.10522105   0.65760561   -3.1090208   -2.3461941 
   51000            0    1.7270244    -2.894789           -0  0.079316066   0.66083727    -2.894789   -2.1546357 
   52000            0    2.1036512   -3.0708266           -0   0.11762021    0.7839446   -3.0708266   -2.1692618 
   53000            0    2.1749106    -3.043193           -0   0.11908953   0.81301499    -3.043193   -2.1110885 
   54000            0    1.7245018   -3.1528646           -0   0.11118993   0.62788226   -3.1528646   -2.4137924 
   55000            0    1.7599209   -3.0543405           -0  0.098996756   0.65525507   -3.0543405   -2.3000886 
   56000            0    1.9085953   -3.1072383           -0   0.10931083   0.70865859   -3.1072383   -2.2892689 
   57000            0    1.9682028    -3.131335           -0  0.094973379   0.74854212    -3.131335   -2.2878195 
   58000            0    1.7813545    -3.167275           -0  0.085523136    0.6779145    -3.167275   -2.4038374 
   59000            0    2.0324497   -3.1103534           -0   0.13343285   0.73761703   -3.1103534   -2.2393035 
   60000            0     1.697349    -3.152831           -0  0.086035815   0.64139945    -3.152831   -2.4253957 
   61000            0     2.061537   -3.0730484           -0   0.12753143   0.75598441   -3.0730484   -2.1895325 
   62000            0    1.8186587   -3.1590894           -0  0.096701457   0.68272371   -3.1590894   -2.3796643 
   63000            0    1.9692063   -3.1053354           -0  0.094864849    0.7490807   -3.1053354   -2.2613899 
   64000            0    2.0113722   -3.0898117           -0   0.12640828   0.73560838   -3.0898117    -2.227795 
   65000            0    1.9350085   -3.2290712           -0   0.11850297   0.71078638   -3.2290712   -2.3997819 
   66000            0    2.0569306   -3.0489252           -0   0.12731012   0.75423156   -3.0489252   -2.1673835 
   67000            0    2.0119071     -3.10894           -0  0.099142151   0.76310375     -3.10894   -2.2466941 
   68000            0    2.0615321    -3.167552           -0   0.11066625   0.77284751    -3.167552   -2.2840383 
   69000            0    1.8731077   -3.1864825           -0   0.12982742     0.672933   -3.1864825   -2.3837221 
   70000            0     2.109088   -3.1787326           -0   0.13107619   0.77281866   -3.1787326   -2.2748377 
   71000            0    1.9764202   -3.0731116           -0   0.12035585   0.72668137   -3.0731116   -2.2260744 
   72000            0    1.6460591   -3.0865952           -0   0.09486718   0.61058673   -3.0865952   -2.3811413 
   73000            0    1.9756864   -3.0431747           -0    0.1041775   0.74254526   -3.0431747    -2.196452 
   74000            0    2.0553658   -3.1290715           -0   0.12267262   0.75819842   -3.1290715   -2.2482004 
   75000            0     1.550997   -2.9813403           -0  0.094350599   0.57036238   -2.9813403   -2.3166273 
   76000            0    1.9824851   -3.0057088           -0   0.11621875   0.73341774   -3.0057088   -2.1560723 
   77000            0    1.8451505   -3.0063772           -0   0.12602143   0.66475735   -3.0063772   -2.2155984 
   78000            0     1.934755   -3.0603773           -0   0.11800375   0.71117696   -3.0603773   -2.2311966 
   79000            0    2.1982093    -3.095224           -0   0.12840585   0.81368383    -3.095224   -2.1531343 
   80000            0    1.7547828   -3.0620364           -0  0.092552269   0.65949751   -3.0620364   -2.3099866 
   81000            0    2.1064588   -3.1631358           -0   0.11415036   0.78861768   -3.1631358   -2.2603677 
   82000            0    2.0039288   -3.1190532           -0   0.13374009   0.72508654   -3.1190532   -2.2602266 
   83000            0    1.7749465   -3.2172309           -0   0.11017601   0.65051537   -3.2172309   -2.4565396 
   84000            0    1.7865147   -3.1433093           -0  0.086859958   0.67878922   -3.1433093   -2.3776602 
   85000            0    1.4541199   -3.0123872           -0  0.096301993   0.52689225   -3.0123872   -2.3891929 
   86000            0    2.0345567   -2.9577061           -0   0.11756878    0.7543841   -2.9577061   -2.0857532 
   87000            0    1.9655671   -3.0235755           -0   0.13068174   0.71170417   -3.0235755   -2.1811896 
   88000            0    2.1238733   -3.0972095           -0   0.15660293   0.75362848   -3.0972095   -2.1869781 
   89000            0      1.93413   -3.0018414           -0   0.11736651   0.71154634   -3.0018414   -2.1729285 
   90000            0    2.0106701   -3.0778989           -0    0.1150105   0.74670527   -3.0778989   -2.2161831 
   91000            0    1.9700224   -3.0072749           -0    0.1200151   0.72428023   -3.0072749   -2.1629796 
   92000            0    2.3062898   -3.1245149           -0   0.16045862   0.82795128   -3.1245149    -2.136105 
   93000            0    1.9977984   -3.1072212           -0  0.098381856   0.75781746   -3.1072212   -2.2510219 
   94000            0    1.9684844   -3.0923519           -0   0.11228362   0.73135255   -3.0923519   -2.2487157 
   95000            0    1.8913269   -3.1044766           -0  0.088944817   0.72162386   -3.1044766    -2.293908 
   96000            0     2.139258   -2.9032081           -0   0.12122357    0.7956013   -2.9032081   -1.9863833 
   97000            0    2.1549839   -3.0073823           -0   0.14177897   0.78178555   -3.0073823   -2.0838178 
   98000            0     2.001084   -3.0411655           -0   0.16549603   0.69211139   -3.0411655   -2.1835581 
   99000            0     2.269108   -3.0749812           -0   0.11370514   0.85876972   -3.0749812   -2.1025064 
  100000            0    2.0270482   -3.0802101           -0  0.098599302   0.77013563   -3.0802101   -2.2114752 
  101000            0    1.9412796   -3.1543623           -0   0.11953004   0.71244692   -3.1543623   -2.3223853 
  102000            0    2.0146461   -3.0140006           -0   0.10152606    0.7618937   -3.0140006   -2.1505808 
  103000            0    1.7377282   -3.1862597           -0  0.082111131   0.66262952   -3.1862597    -2.441519 
  104000            0    1.7973897   -3.1055088           -0  0.093370304   0.67693958   -3.1055088   -2.3351989 
  105000            0    2.2615194   -2.9636424           -0   0.12584102   0.84338157   -2.9636424   -1.9944198 
  106000            0    1.8974182   -2.9505576           -0  0.085928679   0.72725057   -2.9505576   -2.1373783 
  107000            0    2.0691161   -3.0804349           -0   0.12411017   0.76265389   -3.0804349   -2.1936708 
  108000            0    2.0457472    -2.981702           -0   0.09308074   0.78366806    -2.981702   -2.1049532 
  109000            0    1.6610604   -3.1463569           -0  0.066318676   0.64556436   -3.1463569   -2.4344738 
  110000            0    1.9606721    -3.080013           -0   0.13164067   0.70864736    -3.080013   -2.2397249 
Loop time of 62.2251 on 8 procs for 100000 steps with 350 atoms

Pair  time (%) = 43.4946 (69.8987)
Neigh time (%) = 0.395421 (0.635469)
Comm  time (%) = 10.3551 (16.6414)
Outpt time (%) = 0.00358662 (0.00576394)
Other time (%) = 7.97644 (12.8187)

Nlocal:    43.75 ave 51 max 33 min
Histogram: 1 0 1 0 0 2 0 1 2 1
Nghost:    168.375 ave 180 max 155 min
Histogram: 1 1 0 0 1 0 2 2 0 1
Neighs:    971 ave 1278 max 631 min
Histogram: 1 1 0 1 0 1 2 1 0 1

Total # of neighbors = 7768
Ave neighs/atom = 22.1943
Neighbor list builds = 7621
Dangerous builds = 0
